N-ethyl-2-(3-propyloxiran-2-yl)ethanamine

C9H19NO — CID 163646276

IUPACN-ethyl-2-(3-propyloxiran-2-yl)ethanamine
SMILESCCCC1OC1CCNCC
InChIInChI=1S/C9H19NO/c1-3-5-8-9(11-8)6-7-10-4-2/h8-10H,3-7H2,1-2H3
InChIKeyIIMGBUMCVPIWNN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds6

About N-ethyl-2-(3-propyloxiran-2-yl)ethanamine

N-ethyl-2-(3-propyloxiran-2-yl)ethanamine (PubChem CID 163646276) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-2-(3-propyloxiran-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-propyloxiran-2-yl)ethanamine
PubChem CID163646276
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-2-(3-propyloxiran-2-yl)ethanamine
SMILESCCCC1OC1CCNCC
InChIInChI=1S/C9H19NO/c1-3-5-8-9(11-8)6-7-10-4-2/h8-10H,3-7H2,1-2H3
InChIKeyIIMGBUMCVPIWNN-UHFFFAOYSA-N
XLogP1.55
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-propyloxiran-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-propyloxiran-2-yl)ethanamine (CID 163646276) is N-ethyl-2-(3-propyloxiran-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-propyloxiran-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-propyloxiran-2-yl)ethanamine is CCCC1OC1CCNCC.
What is the InChIKey of N-ethyl-2-(3-propyloxiran-2-yl)ethanamine?
The InChIKey is IIMGBUMCVPIWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-8-9(11-8)6-7-10-4-2/h8-10H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-(3-propyloxiran-2-yl)ethanamine?
N-ethyl-2-(3-propyloxiran-2-yl)ethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-propyloxiran-2-yl)ethanamine is sourced from PubChem (CID 163646276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).